N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C8H14N2O3S — CID 43393138

IUPACN-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCCO
InChIInChI=1S/C8H14N2O3S/c11-5-2-9-7(12)1-3-10-4-6-14-8(10)13/h11H,1-6H2,(H,9,12)
InChIKeySBICOLCQJZFXGA-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.35
Rot. Bonds5

About N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 43393138) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID43393138
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCCO
InChIInChI=1S/C8H14N2O3S/c11-5-2-9-7(12)1-3-10-4-6-14-8(10)13/h11H,1-6H2,(H,9,12)
InChIKeySBICOLCQJZFXGA-UHFFFAOYSA-N
XLogP-0.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 43393138) is N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is SBICOLCQJZFXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c11-5-2-9-7(12)1-3-10-4-6-14-8(10)13/h11H,1-6H2,(H,9,12).
What are the key properties of N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 218.28 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 43393138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).